2-methyl-2,3-dihydro-1??,2-benzothiazole-1,1,3-trione
AlkaPlorer ID: AK028249
Synonym: None
IUPAC Name: 2-methyl-1,1-dioxo-1,2-benzothiazol-3-one
Structure
SMILES: CN1C(=O)C2=CC=CC=C2S1(=O)=O
InChI: InChI=1S/C8H7NO3S/c1-9-8(10)6-4-2-3-5-7(6)13(9,11)12/h2-5H,1H3
InChIKey: DDIIAJRLFATEEE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Psammosilene tunicoides | Psammosilene | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 197.215
TPSA？: 54.45
MolLogP？: 0.4609
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Carbonic anhydrase I | Ki | 50000.0 | nM | 10.1016/j.bmc.2014.01.056 |
| Homo sapiens | Carbonic anhydrase II | Ki | 2600.0 | nM | 10.1016/j.bmc.2014.01.056 |
| Homo sapiens | Carbonic anhydrase IX | Ki | 400.0 | nM | 10.1016/j.bmc.2014.01.056 |
| Homo sapiens | Carbonic anhydrase XII | Ki | 50000.0 | nM | 10.1016/j.bmc.2014.01.056 |
| Rattus norvegicus | Rattus norvegicus | Inhibition | 12.0 | % | 10.1021/jm00133a009 |
| Rattus norvegicus | Rattus norvegicus | Inhibition | nan | % | 10.1021/jm00133a009 |